#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.04 -0.16 1.12 1.01 -1.26 -4.27 120.40 116.88 1trv s VAL 2 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1trv s VAL 2 Cb 0.00 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.32 -0.75 0.00 0.00 0.00 175.10 174.67 1trv s LYS 3 N -3.64 0.21 -0.11 2.72 2.47 -1.17 -5.00 119.74 115.23 1trv s LYS 3 Ca 0.39 0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 55.32 1trv s LYS 3 Cb 0.04 0.02 -0.01 0.00 -1.46 0.00 0.00 37.83 36.41 1trv s LYS 3 CO 0.23 -0.31 1.03 -1.14 0.16 0.00 0.00 175.35 175.32 1trv s GLN 4 N 2.48 4.40 -0.13 4.03 0.74 -1.26 -1.14 119.66 128.79 1trv s GLN 4 Ca 0.01 1.42 -0.17 0.00 0.05 0.00 0.00 55.36 56.66 1trv s GLN 4 Cb -0.12 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1trv s GLN 4 CO -0.10 -0.35 0.45 0.42 -0.55 0.00 0.00 175.29 175.15 1trv s ILE 5 N 2.13 5.20 -0.10 -2.34 -1.09 -0.70 -4.95 121.20 119.35 1trv s ILE 5 Ca 0.49 0.89 0.09 0.00 -2.23 0.00 0.00 60.65 59.88 1trv s ILE 5 Cb -0.19 -3.79 -0.24 0.00 -1.58 0.00 0.00 42.46 36.67 1trv s ILE 5 CO 0.17 0.33 0.43 -0.62 -1.23 0.00 0.00 174.94 174.02 1trv n GLU 6 N 3.73 0.67 0.00 2.79 1.02 -1.26 -4.47 120.64 123.13 1trv n GLU 6 Ca -0.08 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -3.10 0.00 0.10 1.62 3.41 -1.26 -4.01 113.62 110.38 1trv n SER 7 Ca -0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.33 1trv n SER 7 Cb 1.07 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 1trv n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trv h LYS 8 N 0.00 0.00 -0.10 4.33 3.64 -1.93 -2.99 116.57 119.52 1trv h LYS 8 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1trv h LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trv h LYS 8 CO 0.00 0.77 0.02 1.15 -2.27 0.00 0.00 179.45 179.12 1trv h THR 9 N 0.00 0.96 -0.06 1.00 2.02 -2.00 -1.56 112.91 113.26 1trv h THR 9 Ca -0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 1trv h THR 9 Cb 1.54 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1trv h THR 9 CO 0.10 0.01 -0.42 0.00 0.37 0.00 0.00 175.52 175.58 1trv h ALA 10 N 1.07 1.18 -0.13 6.16 0.00 -1.97 -2.62 119.26 122.96 1trv h ALA 10 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1trv h ALA 10 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1trv h ALA 10 CO -0.06 0.57 0.07 0.35 0.00 0.00 0.00 179.25 180.18 1trv h PHE 11 N 0.12 0.13 -0.06 0.00 3.57 -1.20 0.34 116.94 119.82 1trv h PHE 11 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.80 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1trv h PHE 11 CO 0.01 0.08 0.02 1.96 -2.23 0.00 0.00 178.31 178.15 1trv h GLN 12 N 0.15 0.10 -0.06 1.11 4.20 -1.20 -2.02 115.11 117.38 1trv h GLN 12 Ca 0.05 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1trv h GLN 12 Cb 0.00 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1trv h GLN 12 CO -0.03 0.26 0.03 0.93 -0.67 0.00 0.00 178.83 179.36 1trv h GLU 13 N -0.08 0.09 -0.22 1.46 5.08 -1.26 -1.50 114.58 118.16 1trv h GLU 13 Ca 0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1trv h GLU 13 Cb 0.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1trv h GLU 13 CO -0.00 0.07 -0.05 0.00 -1.00 0.00 0.00 179.01 178.03 1trv h ALA 14 N 1.95 0.30 0.00 3.43 0.00 0.19 -2.31 119.26 122.83 1trv h ALA 14 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1trv h ALA 14 CO -0.00 0.08 -0.09 -0.07 0.00 0.00 0.00 179.25 179.16 1trv h LEU 15 N 0.15 0.00 -0.14 0.00 3.38 -0.67 -2.39 115.31 115.63 1trv h LEU 15 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1trv h LEU 15 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1trv h LEU 15 CO 0.02 0.09 -0.27 -0.78 0.09 0.00 0.00 178.44 177.59 1trv h ASP 16 N 0.00 0.48 1.04 -0.43 3.58 -0.77 -3.02 116.42 117.30 1trv h ASP 16 Ca -0.00 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1trv h ASP 16 Cb 0.36 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1trv h ASP 16 CO 0.01 0.94 -0.08 0.00 -2.88 0.00 0.00 179.24 177.23 1trv h ALA 17 N 0.56 1.01 -0.34 -0.78 0.00 -1.10 -2.88 119.26 115.73 1trv h ALA 17 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1trv h ALA 17 Cb 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1trv h ALA 17 CO 0.06 0.10 -0.08 0.00 0.00 0.00 0.00 179.25 179.32 1trv h ALA 18 N 1.92 1.22 0.00 0.00 0.00 -1.31 -3.48 119.26 117.61 1trv h ALA 18 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 18 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1trv h ALA 18 CO 0.01 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1trv n GLY 19 N -0.65 1.60 0.00 0.00 0.00 -1.09 -3.68 105.19 101.37 1trv n GLY 19 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 5.35 0.00 -4.35 1.61 8.00 -1.26 -4.62 116.55 121.28 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 0.47 0.77 -1.24 1.02 -1.24 -4.30 119.74 115.22 1trv s LYS 21 Ca 0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 1trv s LYS 21 Cb 0.00 -1.79 0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1trv s LYS 21 CO 0.00 -2.59 1.16 -1.17 -0.92 0.00 0.00 175.35 171.83 1trv s LEU 22 N -6.17 3.17 -0.27 3.17 0.20 -1.26 -4.31 118.68 113.20 1trv s LEU 22 Ca 0.69 2.20 -0.01 0.00 0.69 0.00 0.00 54.13 57.70 1trv s LEU 22 Cb -0.10 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.23 1trv s LEU 22 CO 0.54 -2.36 0.33 -0.69 -0.29 0.00 0.00 176.35 173.88 1trv s VAL 23 N -2.32 -0.50 0.54 1.68 1.01 -0.01 -3.11 120.40 117.69 1trv s VAL 23 Ca 0.70 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 1trv s VAL 23 Cb -0.25 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1trv s VAL 23 CO 0.49 -0.32 0.80 -0.69 0.00 0.00 0.00 175.10 175.38 1trv s VAL 24 N 2.44 3.30 0.01 2.92 1.01 -0.38 -0.34 120.40 129.37 1trv s VAL 24 Ca 0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1trv s VAL 24 Cb -0.14 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1trv s VAL 24 CO -0.26 -0.22 0.02 -0.69 0.00 0.00 0.00 175.10 173.94 1trv s VAL 25 N -2.80 0.10 -0.25 2.92 1.01 -0.64 -2.26 120.40 118.47 1trv s VAL 25 Ca 0.54 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1trv s VAL 25 Cb -0.10 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1trv s VAL 25 CO 0.40 -0.44 -0.11 -0.62 0.00 0.00 0.00 175.10 174.34 1trv s ASP 26 N -1.35 4.34 -0.58 3.32 2.15 -1.03 -2.90 116.67 120.62 1trv s ASP 26 Ca -0.15 -1.35 -0.14 0.00 0.43 0.00 0.00 52.55 51.34 1trv s ASP 26 Cb -0.09 -1.51 0.14 0.00 -0.30 0.00 0.00 42.92 41.17 1trv s ASP 26 CO -0.00 -0.19 0.52 -0.36 -0.17 0.00 0.00 175.17 174.97 1trv s PHE 27 N 1.14 3.36 0.00 -5.34 0.40 -0.18 -1.16 117.98 116.20 1trv s PHE 27 Ca -0.08 -1.51 0.00 0.00 -0.60 0.00 0.00 56.93 54.74 1trv s PHE 27 Cb -0.20 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.58 1trv s PHE 27 CO -0.05 -1.01 0.00 0.43 0.70 0.00 0.00 175.22 175.29 1trv n SER 28 N 4.96 1.96 -3.74 1.36 7.64 -1.14 -1.79 113.62 122.87 1trv n SER 28 Ca -0.08 -0.45 -0.23 0.00 1.01 0.00 0.00 58.87 59.12 1trv n SER 28 Cb 0.41 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.44 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.00 0.61 -0.04 -0.43 0.00 -1.26 -2.97 121.76 115.67 1trv s ALA 29 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 1trv s ALA 29 Cb 0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 23.12 22.15 1trv s ALA 29 CO 0.00 -0.56 1.13 0.00 0.00 0.00 0.00 175.76 176.33 1trv h THR 30 N 6.37 1.36 -0.28 0.00 1.03 -1.95 -2.88 112.91 116.55 1trv h THR 30 Ca -0.18 -1.32 0.08 0.00 -0.01 0.00 0.00 66.41 64.98 1trv h THR 30 Cb 1.12 2.23 -0.01 0.00 -1.07 0.00 0.00 68.15 70.42 1trv h THR 30 CO 0.24 0.33 0.52 4.11 -0.01 0.00 0.00 175.52 180.72 1trv h TRP 31 N -0.63 0.00 -3.56 0.00 5.08 -2.02 -3.40 115.95 111.42 1trv h TRP 31 Ca -0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.58 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1trv h TRP 31 CO 0.12 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.32 1trv n GLY 33 N -1.04 -0.65 0.15 0.00 0.00 -1.26 -3.72 105.19 98.67 1trv n GLY 33 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1trv n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trv h PRO 34 N -0.37 -0.00 0.00 1.61 0.11 -1.96 0.72 132.00 132.11 1trv h PRO 34 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1trv h PRO 34 Cb 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1trv h PRO 34 CO 0.00 -0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.75 1trv n LYS 36 N -3.63 0.62 0.00 0.00 4.81 0.37 -3.75 118.16 116.57 1trv n LYS 36 Ca -0.03 0.19 0.08 0.00 -0.87 0.00 0.00 58.31 57.69 1trv n LYS 36 Cb 0.13 -1.79 0.45 0.00 0.02 0.00 0.00 35.03 33.84 1trv n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1trv n MET 37 N -2.84 0.34 -0.30 1.64 1.56 0.22 -2.01 117.12 115.72 1trv n MET 37 Ca -0.09 0.09 0.11 0.00 -0.27 0.00 0.00 57.70 57.54 1trv n MET 37 Cb 0.82 -1.50 0.29 0.00 2.15 0.00 0.00 33.22 34.97 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -1.19 0.80 0.09 1.12 5.41 -1.19 -4.32 119.36 120.09 1trv n ILE 38 Ca 0.10 -0.87 -0.04 0.00 1.00 0.00 0.00 62.75 62.94 1trv n ILE 38 Cb 0.11 0.60 -0.06 0.00 -0.71 0.00 0.00 39.64 39.58 1trv n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trv h LYS 39 N 4.15 0.00 0.00 0.38 2.10 -1.63 -3.14 116.57 118.43 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1trv h LYS 39 CO 0.00 0.83 0.00 -0.35 -2.00 0.00 0.00 179.45 177.93 1trv n PRO 40 N -3.32 0.18 -0.07 0.07 -0.05 -1.26 -1.08 135.00 129.46 1trv n PRO 40 Ca 0.01 0.46 -0.08 0.00 -0.05 0.00 0.00 63.50 63.83 1trv n PRO 40 Cb 0.86 -1.87 -0.04 0.00 -0.05 0.00 0.00 33.50 32.40 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trv h PHE 41 N 0.00 0.00 -0.17 0.54 0.04 -1.84 -3.15 116.94 112.36 1trv h PHE 41 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1trv h PHE 41 CO 0.00 0.40 0.10 0.35 -0.60 0.00 0.00 178.31 178.56 1trv h PHE 42 N -1.00 0.23 0.00 -0.55 3.57 -1.51 -2.31 116.94 115.36 1trv h PHE 42 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1trv h PHE 42 Cb 0.60 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1trv h PHE 42 CO -0.06 0.20 -0.06 1.25 -2.23 0.00 0.00 178.31 177.41 1trv h HIS 43 N 0.19 0.00 0.00 0.41 2.76 -1.30 -1.17 115.15 116.05 1trv h HIS 43 Ca 0.06 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1trv h HIS 43 Cb 0.04 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1trv h HIS 43 CO -0.05 0.06 -0.39 0.66 -1.30 0.00 0.00 177.93 176.92 1trv h SER 44 N 0.00 0.00 -0.27 3.26 4.64 -1.37 -2.98 113.55 116.83 1trv h SER 44 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1trv h SER 44 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1trv h SER 44 CO 0.01 0.39 0.08 -0.07 -0.87 0.00 0.00 176.83 176.37 1trv h LEU 45 N 0.00 0.09 -1.88 5.97 3.38 -1.11 -0.56 115.31 121.20 1trv h LEU 45 Ca -0.00 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.29 1trv h LEU 45 Cb 0.71 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1trv h LEU 45 CO 0.05 0.08 0.81 0.28 0.09 0.00 0.00 178.44 179.76 1trv h SER 46 N 0.20 0.00 0.73 -0.43 0.02 -1.61 0.87 113.55 113.34 1trv h SER 46 Ca 0.12 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 1trv h SER 46 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1trv h SER 46 CO -0.13 0.00 -1.39 -0.33 -1.14 0.00 0.00 176.83 173.84 1trv h GLU 47 N 0.00 0.00 0.00 3.45 4.39 -1.25 -3.32 114.58 117.85 1trv h GLU 47 Ca 0.48 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.12 1trv h GLU 47 Cb 2.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.74 1trv h GLU 47 CO -0.01 0.41 -0.79 -0.22 -1.16 0.00 0.00 179.01 177.24 1trv h LYS 48 N 0.00 0.00 -2.54 2.33 3.64 0.13 -3.40 116.57 116.73 1trv h LYS 48 Ca -0.17 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.61 1trv h LYS 48 Cb 1.70 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.12 1trv h LYS 48 CO 0.06 0.17 -0.83 0.66 -2.27 0.00 0.00 179.45 177.24 1trv n TYR 49 N -2.93 0.88 0.79 1.91 4.01 0.17 -4.92 117.16 117.07 1trv n TYR 49 Ca -0.01 -3.73 0.07 0.00 -0.16 0.00 0.00 57.90 54.06 1trv n TYR 49 Cb 0.65 -0.16 0.39 0.00 -0.31 0.00 0.00 39.34 39.91 1trv n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trv n SER 50 N 2.22 0.00 -1.28 7.72 3.41 -1.25 -1.68 113.62 122.76 1trv n SER 50 Ca 0.26 -0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1trv n SER 50 Cb 0.44 -0.11 0.30 0.00 -0.26 0.00 0.00 64.21 64.59 1trv n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trv n ASN 51 N -1.11 3.73 -4.16 4.04 5.15 -1.26 -4.90 115.26 116.75 1trv n ASN 51 Ca 0.09 -2.04 -0.20 0.00 -0.60 0.00 0.00 54.58 51.83 1trv n ASN 51 Cb 0.07 -0.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.73 1trv n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trv s VAL 52 N -1.16 1.16 -0.16 3.44 1.01 -0.67 -4.74 120.40 119.28 1trv s VAL 52 Ca 0.46 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1trv s VAL 52 Cb 0.24 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1trv s VAL 52 CO 0.30 -0.05 0.19 -0.63 0.00 0.00 0.00 175.10 174.91 1trv s ILE 53 N -0.97 5.38 -0.08 2.22 -1.09 -1.18 -4.87 121.20 120.61 1trv s ILE 53 Ca 0.01 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.79 1trv s ILE 53 Cb -0.09 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1trv s ILE 53 CO 0.02 0.48 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.65 1trv s PHE 54 N -0.02 2.09 0.46 3.97 0.08 -1.26 -1.25 117.98 122.04 1trv s PHE 54 Ca 0.13 -0.82 0.07 0.00 0.12 0.00 0.00 56.93 56.43 1trv s PHE 54 Cb -0.12 -1.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1trv s PHE 54 CO 0.02 -0.35 0.36 -0.51 -0.10 0.00 0.00 175.22 174.64 1trv s LEU 55 N 0.46 3.15 -0.25 -0.37 1.02 -0.96 -3.03 118.68 118.70 1trv s LEU 55 Ca -0.17 -0.95 -0.03 0.00 0.02 0.00 0.00 54.13 53.01 1trv s LEU 55 Cb -0.17 -1.70 0.11 0.00 0.02 0.00 0.00 46.19 44.45 1trv s LEU 55 CO 0.07 -0.78 0.22 -0.70 0.02 0.00 0.00 176.35 175.17 1trv s GLU 56 N -4.15 0.23 -0.06 1.70 2.12 -0.29 -2.46 118.70 115.79 1trv s GLU 56 Ca 0.44 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.65 1trv s GLU 56 Cb -0.02 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 1trv s GLU 56 CO 0.25 -0.87 0.05 0.08 -0.54 0.00 0.00 175.26 174.23 1trv s VAL 57 N 2.28 4.62 -0.21 3.70 1.01 -0.31 -1.73 120.40 129.77 1trv s VAL 57 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1trv s VAL 57 Cb -0.15 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1trv s VAL 57 CO -0.25 0.51 -0.01 -0.62 0.00 0.00 0.00 175.10 174.73 1trv s ASP 58 N -1.22 4.67 0.00 3.32 2.15 -1.26 -2.88 116.67 121.44 1trv s ASP 58 Ca 0.17 -0.26 0.08 0.00 0.43 0.00 0.00 52.55 52.97 1trv s ASP 58 Cb -0.12 -1.80 0.43 0.00 -0.30 0.00 0.00 42.92 41.14 1trv s ASP 58 CO 0.07 0.04 1.09 1.33 -0.17 0.00 0.00 175.17 177.53 1trv n VAL 59 N 4.40 0.66 -0.12 1.11 0.24 -1.16 0.19 118.33 123.66 1trv n VAL 59 Ca -0.17 0.17 -0.20 0.00 -2.04 0.00 0.00 64.34 62.09 1trv n VAL 59 Cb 0.52 -1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 31.76 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -1.23 2.02 0.01 -1.34 9.92 -1.26 -3.61 116.55 121.07 1trv n ASP 60 Ca 0.04 0.05 -0.10 0.00 -0.53 0.00 0.00 54.79 54.25 1trv n ASP 60 Cb 0.06 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 39.90 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.36 0.08 -0.71 -2.24 1.82 -1.87 -3.36 116.42 109.79 1trv h ASP 61 Ca -0.55 -0.14 -0.51 0.00 -0.39 0.00 0.00 57.03 55.45 1trv h ASP 61 Cb 1.67 -0.03 -0.36 0.00 0.68 0.00 0.00 39.33 41.29 1trv h ASP 61 CO -0.20 1.12 -0.54 0.00 -1.61 0.00 0.00 179.24 178.01 1trv n ALA 62 N -2.55 5.05 0.21 -0.78 0.00 0.13 -4.74 120.51 117.84 1trv n ALA 62 Ca -0.14 -3.68 0.10 0.00 0.00 0.00 0.00 53.44 49.72 1trv n ALA 62 Cb 1.02 -0.53 0.55 0.00 0.00 0.00 0.00 19.45 20.49 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 2.01 0.00 -0.25 0.00 3.07 -1.61 0.11 115.11 118.43 1trv h GLN 63 Ca 0.37 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.93 1trv h GLN 63 Cb 1.41 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.97 1trv h GLN 63 CO 0.79 0.00 -0.55 0.38 0.09 0.00 0.00 178.83 179.55 1trv h ASP 64 N 0.00 0.85 0.88 0.06 2.03 -1.89 -2.64 116.42 115.71 1trv h ASP 64 Ca 0.00 -0.45 -0.22 0.00 -0.73 0.00 0.00 57.03 55.63 1trv h ASP 64 Cb 0.46 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 1trv h ASP 64 CO 0.00 1.22 -1.02 0.58 -1.03 0.00 0.00 179.24 178.99 1trv h VAL 65 N 0.59 1.65 -0.70 4.15 2.07 -1.10 -3.20 116.25 119.70 1trv h VAL 65 Ca 0.01 -3.24 -0.02 0.00 0.82 0.00 0.00 66.70 64.26 1trv h VAL 65 Cb 1.13 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 1trv h VAL 65 CO 0.11 0.93 0.34 0.00 0.02 0.00 0.00 177.57 178.98 1trv h ALA 66 N 0.94 0.91 0.00 1.67 0.00 -1.41 -1.33 119.26 120.03 1trv h ALA 66 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1trv h ALA 66 Cb 1.76 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1trv h ALA 66 CO 0.14 0.47 -0.14 0.77 0.00 0.00 0.00 179.25 180.49 1trv h SER 67 N 0.98 0.00 0.29 0.00 0.02 -1.51 0.22 113.55 113.55 1trv h SER 67 Ca 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1trv h SER 67 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1trv h SER 67 CO -0.03 0.14 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.58 1trv h GLU 68 N 0.00 -0.38 -0.00 3.45 4.57 -1.24 -2.63 114.58 118.35 1trv h GLU 68 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1trv h GLU 68 Cb 0.41 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1trv h GLU 68 CO 0.02 -0.09 -0.02 0.00 -1.18 0.00 0.00 179.01 177.74 1trv n ALA 69 N -2.41 2.65 -3.44 2.92 0.00 -1.12 -4.92 120.51 114.19 1trv n ALA 69 Ca -0.10 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1trv n ALA 69 Cb 0.24 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.31 1trv n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1trv n GLU 70 N -0.92 -2.63 -2.78 0.00 2.13 0.01 -4.89 120.64 111.55 1trv n GLU 70 Ca 0.20 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 58.31 1trv n GLU 70 Cb 0.19 -5.28 -0.04 0.00 0.27 0.00 0.00 31.44 26.58 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1trv s VAL 71 N -3.44 4.32 -0.39 6.31 1.01 -0.85 -4.84 120.40 122.52 1trv s VAL 71 Ca 0.37 0.45 0.15 0.00 0.00 0.00 0.00 61.98 62.96 1trv s VAL 71 Cb -0.08 -4.57 0.53 0.00 0.00 0.00 0.00 36.38 32.26 1trv s VAL 71 CO 0.78 -1.14 1.44 0.29 0.00 0.00 0.00 175.10 176.47 1trv n LYS 72 N 7.64 3.16 -3.20 2.72 5.02 -1.26 -4.87 118.16 127.37 1trv n LYS 72 Ca 0.04 -2.73 0.01 0.00 -2.02 0.00 0.00 58.31 53.60 1trv n LYS 72 Cb 0.48 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.42 -1.99 0.14 7.82 0.00 -1.26 -5.16 121.76 118.89 1trv s ALA 73 Ca 0.40 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.87 1trv s ALA 73 Cb 0.31 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1trv s ALA 73 CO 0.12 -1.41 0.17 0.95 0.00 0.00 0.00 175.76 175.60 1trv s THR 74 N 2.78 4.79 0.74 0.00 -4.23 -1.26 -4.20 115.64 114.25 1trv s THR 74 Ca 0.17 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.69 1trv s THR 74 Cb -0.14 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.31 1trv s THR 74 CO -0.21 -0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 172.74 1trv s PRO 75 N -3.00 2.60 -0.06 3.99 0.04 -1.26 -4.91 135.00 132.41 1trv s PRO 75 Ca 0.32 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1trv s PRO 75 Cb -0.11 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.25 -1.26 0.28 0.99 0.04 0.00 0.00 177.00 177.30 1trv s THR 76 N -3.21 0.03 0.01 1.26 2.01 -0.74 -3.20 115.64 111.81 1trv s THR 76 Ca 0.59 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1trv s THR 76 Cb -0.13 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1trv s THR 76 CO 0.54 -0.15 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.73 1trv s PHE 77 N -0.64 1.99 0.03 4.92 0.40 -0.94 -1.01 117.98 122.72 1trv s PHE 77 Ca -0.07 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1trv s PHE 77 Cb -0.04 -1.24 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1trv s PHE 77 CO 0.02 0.02 -0.18 -0.65 0.70 0.00 0.00 175.22 175.13 1trv s GLN 78 N -0.80 1.28 -0.32 0.44 -0.21 -1.14 -2.08 119.66 116.83 1trv s GLN 78 Ca 0.09 -0.81 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 1trv s GLN 78 Cb -0.09 -1.33 0.02 0.00 1.00 0.00 0.00 33.01 32.62 1trv s GLN 78 CO 0.00 0.34 0.10 -0.06 -2.12 0.00 0.00 175.29 173.56 1trv s PHE 79 N -0.70 3.20 0.12 0.91 0.40 0.11 -1.63 117.98 120.39 1trv s PHE 79 Ca 0.06 -1.14 0.07 0.00 -0.60 0.00 0.00 56.93 55.33 1trv s PHE 79 Cb -0.08 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1trv s PHE 79 CO 0.01 -0.64 -0.09 -0.06 0.70 0.00 0.00 175.22 175.14 1trv s PHE 80 N 1.47 2.74 -0.17 0.36 0.08 0.54 -1.73 117.98 121.28 1trv s PHE 80 Ca 0.01 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 1trv s PHE 80 Cb -0.18 -1.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1trv s PHE 80 CO 0.03 0.45 0.43 0.21 -0.10 0.00 0.00 175.22 176.24 1trv s LYS 81 N -2.40 0.43 -1.41 0.44 2.20 -0.56 -0.83 119.74 117.62 1trv s LYS 81 Ca 0.23 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1trv s LYS 81 Cb -0.11 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1trv s LYS 81 CO 0.15 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.63 1trv n LYS 82 N 3.95 -1.30 -1.57 4.03 5.02 -1.26 0.75 118.16 127.78 1trv n LYS 82 Ca -0.21 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1trv n LYS 82 Cb 0.56 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.25 0.48 2.85 0.72 0.00 -1.26 -5.05 105.19 102.68 1trv n GLY 83 Ca -0.13 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1trv n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trv s GLN 84 N -3.20 0.83 0.10 1.61 -0.21 0.23 -5.11 119.66 113.91 1trv s GLN 84 Ca 0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 55.36 55.02 1trv s GLN 84 Cb 0.00 -0.97 -0.09 0.00 1.00 0.00 0.00 33.01 32.96 1trv s GLN 84 CO 0.00 -0.17 1.56 0.21 -2.12 0.00 0.00 175.29 174.77 1trv s LYS 85 N 1.35 4.23 0.00 2.91 2.20 -1.26 -1.49 119.74 127.68 1trv s LYS 85 Ca -0.04 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 1trv s LYS 85 Cb -0.13 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1trv s LYS 85 CO -0.02 -0.63 0.02 1.33 -0.36 0.00 0.00 175.35 175.69 1trv n VAL 86 N 4.36 0.00 -3.57 4.02 0.24 -0.70 -4.95 118.33 117.73 1trv n VAL 86 Ca 0.14 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.34 61.93 1trv n VAL 86 Cb 0.40 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 1trv n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trv s GLY 87 N -0.86 -0.31 -0.14 7.63 0.00 -1.18 -5.02 107.32 107.44 1trv s GLY 87 Ca 0.00 1.59 -0.34 0.00 0.00 0.00 0.00 44.72 45.97 1trv s GLY 87 CO 0.00 0.59 1.14 -1.83 0.00 0.00 0.00 173.10 173.00 1trv s GLU 88 N -2.33 0.43 -0.11 2.90 -1.05 -1.26 0.07 118.70 117.34 1trv s GLU 88 Ca 0.07 -0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.42 1trv s GLU 88 Cb -0.01 0.20 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1trv s GLU 88 CO -0.05 -0.19 1.02 -0.59 0.95 0.00 0.00 175.26 176.40 1trv s PHE 89 N -2.58 -0.29 -0.03 4.83 -0.12 -0.89 -5.00 117.98 113.91 1trv s PHE 89 Ca 0.08 0.31 0.06 0.00 -0.05 0.00 0.00 56.93 57.34 1trv s PHE 89 Cb -0.01 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1trv s PHE 89 CO -0.06 -0.37 -0.21 -1.54 -0.05 0.00 0.00 175.22 173.00 1trv s SER 90 N -1.88 2.47 0.00 1.98 1.04 -1.26 -2.21 113.70 113.83 1trv s SER 90 Ca 0.04 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1trv s SER 90 Cb -0.01 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1trv s SER 90 CO -0.04 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1trv n GLY 91 N 2.71 4.11 1.68 7.32 0.00 -1.19 -4.97 105.19 114.85 1trv n GLY 91 Ca -0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 1trv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trv n ALA 92 N -1.18 4.85 -3.40 4.61 0.00 -1.26 -4.68 120.51 119.45 1trv n ALA 92 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 1trv n ALA 92 Cb 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.96 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 2.00 7.06 0.53 0.00 3.84 -1.26 -4.86 114.94 122.25 1trv s ASN 93 Ca 0.24 -3.61 0.20 0.00 0.21 0.00 0.00 52.86 49.90 1trv s ASN 93 Cb 0.11 -2.15 1.35 0.00 -0.55 0.00 0.00 41.25 40.01 1trv s ASN 93 CO 0.00 -0.27 2.11 0.07 -2.79 0.00 0.00 177.10 176.22 1trv h LYS 94 N 6.56 0.00 -0.11 0.43 2.10 -2.00 -0.39 116.57 123.15 1trv h LYS 94 Ca 0.17 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.73 1trv h LYS 94 Cb 0.86 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1trv h LYS 94 CO 0.98 0.00 -0.35 0.93 -2.00 0.00 0.00 179.45 179.01 1trv h GLU 95 N 0.00 0.23 -0.22 0.07 3.07 -1.99 -2.68 114.58 113.06 1trv h GLU 95 Ca 0.07 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1trv h GLU 95 Cb 0.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1trv h GLU 95 CO -0.00 0.56 -0.03 -0.22 -1.40 0.00 0.00 179.01 177.92 1trv h LYS 96 N 0.20 0.32 -0.93 2.33 3.64 -1.47 -2.21 116.57 118.45 1trv h LYS 96 Ca 0.02 -0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.58 1trv h LYS 96 Cb 0.72 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1trv h LYS 96 CO 0.05 0.38 0.63 -0.07 -2.27 0.00 0.00 179.45 178.17 1trv h LEU 97 N 0.32 0.29 0.43 5.20 3.38 -1.48 0.16 115.31 123.61 1trv h LEU 97 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1trv h LEU 97 Cb 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1trv h LEU 97 CO 0.01 0.10 -0.21 -0.08 0.09 0.00 0.00 178.44 178.35 1trv h GLU 98 N 0.28 -0.56 -0.14 1.13 4.81 -1.55 0.11 114.58 118.67 1trv h GLU 98 Ca 0.48 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.79 1trv h GLU 98 Cb 1.41 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1trv h GLU 98 CO -0.15 -0.37 0.14 0.00 -0.73 0.00 0.00 179.01 177.90 1trv h ALA 99 N -1.68 1.84 -0.07 2.92 0.00 -1.54 -1.95 119.26 118.78 1trv h ALA 99 Ca -0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1trv h ALA 99 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1trv h ALA 99 CO 0.10 -0.21 -0.16 1.15 0.00 0.00 0.00 179.25 180.13 1trv h THR 100 N 0.00 1.42 -0.71 0.00 2.02 -0.42 -2.89 112.91 112.33 1trv h THR 100 Ca 0.07 -1.50 0.04 0.00 0.77 0.00 0.00 66.41 65.79 1trv h THR 100 Cb 0.34 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 1trv h THR 100 CO -0.00 0.42 0.47 0.40 0.37 0.00 0.00 175.52 177.18 1trv h ILE 101 N -0.26 1.10 0.00 3.11 2.04 -0.03 0.43 117.51 123.90 1trv h ILE 101 Ca -0.00 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1trv h ILE 101 Cb 0.76 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1trv h ILE 101 CO 0.04 0.15 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.46 0.00 -0.03 1.72 5.15 -0.99 -2.02 115.26 114.63 1trv n ASN 102 Ca 0.09 -0.75 -0.07 0.00 -0.60 0.00 0.00 54.58 53.25 1trv n ASN 102 Cb 0.13 -0.02 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.05 -0.43 1.20 4.57 0.08 -3.35 114.58 116.60 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1trv h GLU 103 CO 0.00 0.37 0.00 1.28 -1.18 0.00 0.00 179.01 179.48 1trv n LEU 104 N -4.76 4.91 0.00 1.64 4.77 -1.22 -5.13 117.00 117.21 1trv n LEU 104 Ca -0.05 -2.97 0.01 0.00 -0.03 0.00 0.00 56.01 52.97 1trv n LEU 104 Cb 0.22 -0.62 0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1trv n LEU 104 CO 0.16 0.65 0.33 0.55 -1.33 0.00 0.00 177.39 177.75